SCHEMBL12460744

SCHEMBL12460744

N=C(N)c1ccc(OCCCNCCCNCCCOc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.73
TMPRSS2 O15393 2/20 0.73
PRMT1 Q99873 3/20 0.71
F2 P00734 2/20 0.71
ST14 Q9Y5Y6 2/20 0.71
PLAU P00749 1/20 0.71
PRMT5 O14744 1/20 0.71
SLC22A2 O15244 1/20 0.71
SLC22A1 O15245 1/20 0.71
PTP4A3 O75365 1/20 0.71
SLC22A3 O75751 1/20 0.71
F10 P00742 1/20 0.71
PLG P00747 1/20 0.71
S100B P04271 1/20 0.71
CHRM2 P08172 1/20 0.71
CHRM4 P08173 1/20 0.71
CHRM5 P08912 1/20 0.71
ADRA2A P08913 1/20 0.71
CYP2D6 P10635 1/20 0.71
AOC1 P19801 1/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12460737 0.98 PRSS1 (0.76) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL14367440 0.97 PRSS1 (0.73) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL5623136 0.97 PRSS1 (0.77) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL12461520 0.97 PRSS1 (0.73) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL12461759 0.95 PRSS1 (0.71) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL5623183 0.95 PRSS1 (0.74) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL5625975 0.95 PRSS1 (0.74) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL12461903 0.93 PRSS1 (0.69) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL12461940 0.93 PRMT1 (0.77) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL5623287 0.93 PRSS1 (0.72) PRSS1TMPRSS2PRMT1F2ST14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed